(1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine

C16H17BrN2O — CID 81407675

IUPAC(1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine
SMILESC[C@@H](NCC1Cc2cc(Br)ccc2O1)c1ccccn1
InChIInChI=1S/C16H17BrN2O/c1-11(15-4-2-3-7-18-15)19-10-14-9-12-8-13(17)5-6-16(12)20-14/h2-8,11,14,19H,9-10H2,1H3/t11-,14?/m1/s1
InChIKeyHMIOCPVMFWGACP-YNODCEANSA-N
MW333.23 g/mol
LogP3.50
Rot. Bonds4

About (1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine

(1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 81407675) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is (1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID81407675
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name(1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine
SMILESC[C@@H](NCC1Cc2cc(Br)ccc2O1)c1ccccn1
InChIInChI=1S/C16H17BrN2O/c1-11(15-4-2-3-7-18-15)19-10-14-9-12-8-13(17)5-6-16(12)20-14/h2-8,11,14,19H,9-10H2,1H3/t11-,14?/m1/s1
InChIKeyHMIOCPVMFWGACP-YNODCEANSA-N
XLogP3.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine with MolForge

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 82777884
1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 61003691
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104760212
N-(cyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 21278980
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 66393927
1-(5-bromofuran-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 104652832
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclopropylbutan-2-amine
CID 66393771
2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 103108672
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-ethoxyaniline
CID 66393336
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine
CID 66392429
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66392619
(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66364892

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine (CID 81407675) is (1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine is C[C@@H](NCC1Cc2cc(Br)ccc2O1)c1ccccn1.
What is the InChIKey of (1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is HMIOCPVMFWGACP-YNODCEANSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11(15-4-2-3-7-18-15)19-10-14-9-12-8-13(17)5-6-16(12)20-14/h2-8,11,14,19H,9-10H2,1H3/t11-,14?/m1/s1.
What are the key properties of (1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine?
(1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 333.23 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 81407675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).